Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60459656

Structure

InChI Key PRXLONJYBZDUFU-UHFFFAOYSA-N
Smiles C(CCOCCCCOCCCCOCCCCOCCCCO)CO
InChI
InChI=1S/C20H42O6/c21-11-1-3-13-23-15-5-7-17-25-19-9-10-20-26-18-8-6-16-24-14-4-2-12-22/h21-22H,1-20H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H42O6
Molecular Weight 378.3
AlogP 2.94
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 23.0
Polar Surface Area 77.38
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 61136-08-1
NORMAN SUSDAT
PubChem 11234315
ChemSpider 9409362.0